Glycoside
GD016617
Name:
NoneFormula:
C15H21O6N5SSmiles:
N[C@H](CCCSC[C@@H]1O[C@H](n2cnc3c(O)ncnc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
CSCCCC(N)C(=O)O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.43 | Num_heavy_atoms: | 27 |
| TPSA: | 176.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD11944
Formula: C6H13O2NS
Smiles:
CSCCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
